N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide

C23H22F2N2O3 — CID 55888737

IUPACN-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(COC(C)C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C23H22F2N2O3/c1-16(30-15-17-6-5-8-20(12-17)29-2)23(28)27(14-19-7-3-4-11-26-19)22-10-9-18(24)13-21(22)25/h3-13,16H,14-15H2,1-2H3
InChIKeyBDHBQMRNMWXWLR-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.51
Rot. Bonds8

About N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide

N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 55888737) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID55888737
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(COC(C)C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C23H22F2N2O3/c1-16(30-15-17-6-5-8-20(12-17)29-2)23(28)27(14-19-7-3-4-11-26-19)22-10-9-18(24)13-21(22)25/h3-13,16H,14-15H2,1-2H3
InChIKeyBDHBQMRNMWXWLR-UHFFFAOYSA-N
XLogP4.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 56527894
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
N-(2-hydroxyphenyl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 108732542
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
N-(3,5-dimethylphenyl)-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55965541
N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 55889470
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
CID 55684573

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide (CID 55888737) is N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide is COc1cccc(COC(C)C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BDHBQMRNMWXWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-16(30-15-17-6-5-8-20(12-17)29-2)23(28)27(14-19-7-3-4-11-26-19)22-10-9-18(24)13-21(22)25/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide?
N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 412.44 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 55888737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).